O1-methyl O4-piperidin-4-yl (E)-but-2-enedioate; 2-[2-(2-phenylmethoxyphenyl)ethyl]-3H-isoindol-1-one

Systemtic Name: O1-methyl O4-piperidin-4-yl (E)-but-2-enedioate; 2-[2-(2-phenylmethoxyphenyl)ethyl]-3H-isoindol-1-one Openeye Name: 2-[2-(2-benzyloxyphenyl)ethyl]isoindolin-1-one; O1-methyl O4-(4-piperidyl) (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-methyl ester O4-(4-piperidinyl) ester; 2-[2-(2-phenylmethoxyphenyl)ethyl]-3H-isoindol-1-one IUPAC Name: 1-O-methyl 4-O-piperidin-4-yl (E)-but-2-enedioate; 2-[2-(2-phenylmethoxyphenyl)ethyl]-3H-isoindol-1-one Traditional Name: 2-[2-(2-benzoxyphenyl)ethyl]isoindolin-1-one; (E)-but-2-enedioic acid O1-methyl ester O4-(4-piperidyl) ester Formula: C33H36N2O6 MolecularWeight: 556.64874

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(=O)OC1CCNCC1.C1C2=CC=CC=C2C(=O)N1CCC3=CC=CC=C3OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)/C=C/C(=O)OC1CCNCC1.C1C2=CC=CC=C2C(=O)N1CCC3=CC=CC=C3OCC4=CC=CC=C4

InChI

InChI=1S/C23H21NO2.C10H15NO4/c25-23-21-12-6-4-11-20(21)16-24(23)15-14-19-10-5-7-13-22(19)26-17-18-8-2-1-3-9-18;1-14-9(12)2-3-10(13)15-8-4-6-11-7-5-8/h1-13H,14-17H2;2-3,8,11H,4-7H2,1H3/b;3-2+